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When users want to examine the results of a single SCF calculation
of a geometry, 1SCF should be used. 1SCF can be used in conjunction with
RESTART, in which case a single SCF calculation will be done, and the
results printed.
When 1SCF is used on its own (that is, RESTART is not also used)
then derivatives will only be calculated if GRAD is also specified.
1SCF is helpful in a learning situation. MOPAC normally performs
many SCF calculations, and in order to minimize output when following the
working of the SCF calculation, 1SCF is very useful.
root
2003-07-07